######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011462 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011462 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse011462 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011462 1 2 bmse011462 1 3 bmse011462 1 4 bmse011462 1 5 bmse011462 1 6 bmse011462 1 7 bmse011462 1 8 bmse011462 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 1.8987 9,10,11_m bmse011462 1 2 1 2.0382 7,8_m bmse011462 1 3 1 4.6500 SUP bmse011462 1 4 1 1.4211 7,8_m_Q1 bmse011462 1 5 1 2.6032 DMSO bmse011462 1 6 1 3.1034 6_m_Q2 bmse011462 1 7 1 3.5073 4_m_Q3 bmse011462 1 8 1 1.2740 9,10_m bmse011462 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 68.3696 bmse011462 1 2 2 1 95.8284 bmse011462 1 3 3 1 0.0000 bmse011462 1 4 4 1 78.6875 bmse011462 1 5 5 1 1.9532 bmse011462 1 6 6 1 4.0164 bmse011462 1 7 7 1 3.9944 bmse011462 1 8 8 1 76.7930 bmse011462 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011462 1 2 bmse011462 1 3 bmse011462 1 4 bmse011462 1 5 bmse011462 1 6 bmse011462 1 7 bmse011462 1 8 bmse011462 1 9 bmse011462 1 10 bmse011462 1 11 bmse011462 1 12 bmse011462 1 13 bmse011462 1 14 bmse011462 1 15 bmse011462 1 16 bmse011462 1 17 bmse011462 1 18 bmse011462 1 19 bmse011462 1 20 bmse011462 1 21 bmse011462 1 22 bmse011462 1 23 bmse011462 1 24 bmse011462 1 25 bmse011462 1 26 bmse011462 1 27 bmse011462 1 28 bmse011462 1 29 bmse011462 1 30 bmse011462 1 31 bmse011462 1 32 bmse011462 1 33 bmse011462 1 34 bmse011462 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 1.9556 bmse011462 1 2 1 1.8417 bmse011462 1 3 1 2.1181 bmse011462 1 4 1 1.9584 bmse011462 1 5 1 4.6500 bmse011462 1 6 1 1.4867 bmse011462 1 7 1 1.3556 bmse011462 1 8 1 2.5967 bmse011462 1 9 1 2.6000 bmse011462 1 10 1 2.6031 bmse011462 1 11 1 2.6062 bmse011462 1 12 1 2.6097 bmse011462 1 13 1 3.1302 bmse011462 1 14 1 3.1234 bmse011462 1 15 1 3.1168 bmse011462 1 16 1 3.1102 bmse011462 1 17 1 3.1034 bmse011462 1 18 1 3.0968 bmse011462 1 19 1 3.0904 bmse011462 1 20 1 3.0834 bmse011462 1 21 1 3.0767 bmse011462 1 22 1 3.5405 bmse011462 1 23 1 3.5336 bmse011462 1 24 1 3.5270 bmse011462 1 25 1 3.5204 bmse011462 1 26 1 3.5139 bmse011462 1 27 1 3.5072 bmse011462 1 28 1 3.5006 bmse011462 1 29 1 3.4940 bmse011462 1 30 1 3.4875 bmse011462 1 31 1 3.4806 bmse011462 1 32 1 3.4740 bmse011462 1 33 1 1.3380 bmse011462 1 34 1 1.2100 bmse011462 1 stop_ save_